(4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone

C15H20ClN5O2 — CID 124995974

IUPAC(4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
SMILESCCCn1cc(Cl)c(C(=O)N2CCOC[C@@H]2c2ncc(C)[nH]2)n1
InChIInChI=1S/C15H20ClN5O2/c1-3-4-20-8-11(16)13(19-20)15(22)21-5-6-23-9-12(21)14-17-7-10(2)18-14/h7-8,12H,3-6,9H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyQPQMQYOEVIJDBF-GFCCVEGCSA-N
MW337.81 g/mol
LogP2.19
Rot. Bonds4

About (4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone

(4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone (PubChem CID 124995974) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
PubChem CID124995974
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC Name(4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
SMILESCCCn1cc(Cl)c(C(=O)N2CCOC[C@@H]2c2ncc(C)[nH]2)n1
InChIInChI=1S/C15H20ClN5O2/c1-3-4-20-8-11(16)13(19-20)15(22)21-5-6-23-9-12(21)14-17-7-10(2)18-14/h7-8,12H,3-6,9H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyQPQMQYOEVIJDBF-GFCCVEGCSA-N
XLogP2.19
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-propylpyrazol-3-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105543
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124993027
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 125017180
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 125016255
(3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105429
[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
CID 110105457
6-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
CID 125005017
3-(3-chloro-1,2-oxazol-5-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
CID 110105488
1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 124946055
2-(2-chloro-6-fluorophenyl)-1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 124995719
1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124983270
(5-methylimidazo[1,2-a]pyridin-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105498

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone (CID 124995974) is (4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone is CCCn1cc(Cl)c(C(=O)N2CCOC[C@@H]2c2ncc(C)[nH]2)n1.
What is the InChIKey of (4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is QPQMQYOEVIJDBF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20ClN5O2/c1-3-4-20-8-11(16)13(19-20)15(22)21-5-6-23-9-12(21)14-17-7-10(2)18-14/h7-8,12H,3-6,9H2,1-2H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
(4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 337.81 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 124995974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).